N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine

C12H19N3O2 — CID 80873271

IUPACN-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine
SMILESCCNc1cc(OC2CCOCC2)nc(C)n1
InChIInChI=1S/C12H19N3O2/c1-3-13-11-8-12(15-9(2)14-11)17-10-4-6-16-7-5-10/h8,10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyRLGGHQXPOJZXTJ-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.77
Rot. Bonds4

About N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine

N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine (PubChem CID 80873271) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine
PubChem CID80873271
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine
SMILESCCNc1cc(OC2CCOCC2)nc(C)n1
InChIInChI=1S/C12H19N3O2/c1-3-13-11-8-12(15-9(2)14-11)17-10-4-6-16-7-5-10/h8,10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyRLGGHQXPOJZXTJ-UHFFFAOYSA-N
XLogP1.77
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-diethyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80942154
N-ethyl-2-methyl-6-(1-methylpiperidin-4-yl)oxypyrimidin-4-amine
CID 80873426
6-cyclobutyloxy-2-methyl-N-propylpyrimidin-4-amine
CID 80873247
N-ethyl-6-(oxan-4-yloxy)pyrazin-2-amine
CID 80873136
N-ethyl-6-(oxan-4-yloxy)pyridin-2-amine
CID 80872431
2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80872310
N-ethyl-6-(oxolan-3-yloxy)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774573
6-cycloheptyloxy-4-N-ethylpyrimidine-2,4-diamine
CID 80870965
6-cyclohexyloxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80965359
N-ethyl-4-methyl-6-(oxolan-3-yloxy)pyrimidin-2-amine
CID 80876812
6-cyclobutyloxy-N-ethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106774446
6-cyclohexyloxy-N-ethyl-2-methylsulfanylpyrimidin-4-amine
CID 80858375

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine (CID 80873271) is N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine is CCNc1cc(OC2CCOCC2)nc(C)n1.
What is the InChIKey of N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine?
The InChIKey is RLGGHQXPOJZXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-13-11-8-12(15-9(2)14-11)17-10-4-6-16-7-5-10/h8,10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine?
N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine has a molecular weight of 237.30 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine is sourced from PubChem (CID 80873271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).